SCHEMBL11680186

SCHEMBL11680186

C=C(C)Cc1cccc(C(=O)OC)c1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ HSD17B10 Q99714 3/20 0.41
▸ CFTR P13569 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HIF1A Q16665 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8383960 0.84 ALDH1A1 (0.49) ALDH1A1LMNACA1CA2CA9
SCHEMBL3667908 0.82 CA1 (0.52) ALDH1A1LMNACA1CA2CA9
SCHEMBL5772033 0.82 CA1 (0.52) ALDH1A1LMNACA1CA2CA9
SCHEMBL8478378 0.80 ALDH1A1 (0.50) ALDH1A1LMNACA1CA2CA9
SCHEMBL8478375 0.80 ALDH1A1 (0.50) ALDH1A1LMNACA1CA2CA9
SCHEMBL1424324 0.79 ALDH1A1 (0.53) ALDH1A1LMNACA1CA2CA9
SCHEMBL1962306 0.79 ALDH1A1 (0.49) ALDH1A1LMNACA1CA2CA9
SCHEMBL3689460 0.78 KDM4E (0.46) ALDH1A1LMNACA1CA2CA9
SCHEMBL2383105 0.78 BDKRB1 (0.51) ALDH1A1LMNACA1CA2CA9
Hydrochloric Acid SCHEMBL1962304 0.78 ALDH1A1 (0.47) ALDH1A1LMNACA1CA2CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4032691-A INSULATING, POROUS RESIN LAYER AND A THERMALLY DEFORMED METAL, DYE, OR RESIN FUJI PHOTO FILM CO., LTD. (JA) 1977-06-28 — — US disclosed
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